기본 정보
- CAS
73666-47-4- 표준 SMILES
CCC(C)CCCCCCCCCCC(=O)NC1C(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)NC(CO)C(=O)N(C)C(CC(N)=O)C(=O)N(C)C(Cc2ccccc2)C(=O)NC(C(O)CC(N)=O)C(=O)NC(CCC(=O)O)C(=O)OC1C- InChIKey
AXMACOGXBDPVJT-UHFFFAOYSA-N- 분자식
- C54H84N10O19
- 평균 분자량
- 1,177.3 g/mol
- 단동위원소 질량
- 1,176.59142049
이름 및 식별자
- 우선 이름
- 3-[6-(3-Amino-1-hydroxy-3-oxopropyl)-12-(2-amino-2-oxoethyl)-9-benzyl-21-(carboxymethyl)-15,18-bis(hydroxymethyl)-10,13,25-trimethyl-24-(12-methyltetradecanoylamino)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-3-yl]propanoic acid
- IUPAC
- 3-[6-(3-amino-1-hydroxy-3-oxopropyl)-12-(2-amino-2-oxoethyl)-9-benzyl-21-(carboxymethyl)-15,18-bis(hydroxymethyl)-10,13,25-trimethyl-24-(12-methyltetradecanoylamino)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-3-yl]propanoic acid
- 현지명
- 리포펩틴A
- 영어명
- lipopeptin A
- 분자식
- C54H84N10O19
- 분자량
- 1177.3
이름 및 동의어
3-(6-(3-Amino-1-hydroxy-3-oxopropyl)-12-(2-amino-2-oxoethyl)-9-benzyl-21-(carboxymethyl)-15,18-bis(hydroxymethyl)-10,13,25-trimethyl-24-(12-methyltetradecanamido)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-3-yl)propanoic acid3-[6-(3-amino-1-hydroxy-3-oxopropyl)-12-(2-amino-2-oxoethyl)-9-benzyl-21-(carboxymethyl)-15,18-bis(hydroxymethyl)-10,13,25-trimethyl-24-(12-methyltetradecanoylamino)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-3-yl]propanoic acidLipopeptin A, dihydrateorb1696442SCHEMBL29661117AKOS040752599T32782리포펩틴Alipopeptin AN-(12-Methyltetradecanoyl)cyclo[Thr*-L-Asp-L-Ser-L-Ser-N2-methyl-L-Asp(NH2)-N-methyl-L-Phe-4-(aminocarbonyl)-L-Thr-L-Glu-]1-Oxa-4,7,10,13,16,19,22-heptaazacyclopentacosane-3-propanoic acid, 6-(3-amino-1-hydroxy-3-oxopropyl)-12-(2-amino-2-oxoethyl)-21-(carboxymethyl)-15,18-bis(hydroxymethyl)-10,13,25-trimethyl-24-[(12-methyl-1-oxotetradecyl)amino]-2,5,8,11,14,17,20,23-octaoxo-9-(phenylmethyl)-
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 463 Ų
- 수소 결합 공여자 수
- 13
- 수소 결합 수용자 수
- 19
- 회전 가능 결합 수
- 27
- 무거운 원자 수
- 83
- 형식 전하
- 0
- 복잡도
- 2,230
물리화학적 성질
- 끓는 점
- 1587.8 · 1587.8±65.0 °C(Predicted)
- 밀도
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.02 · 4.02±0.10(Predicted)
화학 및 산업
공급사1 곳
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…